5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine

C24H24FN5 — CID 135246607

IUPAC5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine
SMILESCCc1cc(F)ccc1-c1cccnc1Cc1cnc(CCc2cnn(C)c2)nc1
InChIInChI=1S/C24H24FN5/c1-3-19-12-20(25)7-8-21(19)22-5-4-10-26-23(22)11-18-13-27-24(28-14-18)9-6-17-15-29-30(2)16-17/h4-5,7-8,10,12-16H,3,6,9,11H2,1-2H3
InChIKeyMQCQADNOCZIOAH-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.35
Rot. Bonds7

About 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine

5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine (PubChem CID 135246607) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine.

Molecular Properties

Compound Name5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine
PubChem CID135246607
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine
SMILESCCc1cc(F)ccc1-c1cccnc1Cc1cnc(CCc2cnn(C)c2)nc1
InChIInChI=1S/C24H24FN5/c1-3-19-12-20(25)7-8-21(19)22-5-4-10-26-23(22)11-18-13-27-24(28-14-18)9-6-17-15-29-30(2)16-17/h4-5,7-8,10,12-16H,3,6,9,11H2,1-2H3
InChIKeyMQCQADNOCZIOAH-UHFFFAOYSA-N
XLogP4.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine
CID 135246467
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine
CID 135246659
5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-N-methyl-N-prop-2-enylpyrimidin-2-amine
CID 135246452
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80689197
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
[2-[5-(2-aminoethyl)pyrimidin-2-yl]-5-fluorophenyl]-(1-methylpyrazol-4-yl)methanone
CID 167429616
2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014697
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine?
The IUPAC name of 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine (CID 135246607) is 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine.
What is the SMILES notation for 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine?
The canonical SMILES for 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine is CCc1cc(F)ccc1-c1cccnc1Cc1cnc(CCc2cnn(C)c2)nc1.
What is the InChIKey of 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine?
The InChIKey is MQCQADNOCZIOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5/c1-3-19-12-20(25)7-8-21(19)22-5-4-10-26-23(22)11-18-13-27-24(28-14-18)9-6-17-15-29-30(2)16-17/h4-5,7-8,10,12-16H,3,6,9,11H2,1-2H3.
What are the key properties of 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine?
5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine has a molecular weight of 401.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine is sourced from PubChem (CID 135246607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).